UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

6140578
6140578
6343564
6343564
6509037
6509037
6653215
6653215
6881227
6881227

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Popular Name: 4-amino-5-(benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazole-3-thiol 4-amino-5-(benzothiazol-2-ylsulf…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.41 5.86 -43.29 2 5 -1 70 294.41 3 ↓
Lo Low (pH 4.5-6) 1.69 6.03 -15.01 3 5 0 73 295.418 3 ↓

Analogs

20895149
20895149

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Popular Name: (2S)-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarba (2S)-2-[[5-(1,3-benzothiazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 8.37 -28.88 2 8 0 102 436.588 7 ↓

Analogs

20895145
20895145

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Popular Name: (2R)-2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(methylcarba (2R)-2-[[5-(1,3-benzothiazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.73 8.37 -28.8 2 8 0 102 436.588 7 ↓

Analogs

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Popular Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazol-6-amine 2-[(4,5-dimethyl-1,2,4-triazol-3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.45 5.8 -14.98 2 5 0 70 291.405 3 ↓

Parameters Provided:

ring.id = 2169
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 2169 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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